N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylbenzenesulfonamide

C13H10ClF3N2O2S — CID 2123604

IUPACN-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C13H10ClF3N2O2S/c1-8-4-2-3-5-11(8)22(20,21)19-12-10(14)6-9(7-18-12)13(15,16)17/h2-7H,1H3,(H,18,19)
InChIKeyBZPWSRASLBTRRQ-UHFFFAOYSA-N
MW350.75 g/mol
LogP3.86
Rot. Bonds3

About N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylbenzenesulfonamide

N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylbenzenesulfonamide (PubChem CID 2123604) has the molecular formula C13H10ClF3N2O2S and a molecular weight of 350.75 g/mol. Its IUPAC name is N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylbenzenesulfonamide
PubChem CID2123604
Molecular FormulaC13H10ClF3N2O2S
Molecular Weight350.75 g/mol
Exact Mass350.01
IUPAC NameN-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C13H10ClF3N2O2S/c1-8-4-2-3-5-11(8)22(20,21)19-12-10(14)6-9(7-18-12)13(15,16)17/h2-7H,1H3,(H,18,19)
InChIKeyBZPWSRASLBTRRQ-UHFFFAOYSA-N
XLogP3.86
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.75
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylbenzenesulfonamide?
The IUPAC name of N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylbenzenesulfonamide (CID 2123604) is N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylbenzenesulfonamide?
The canonical SMILES for N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylbenzenesulfonamide is Cc1ccccc1S(=O)(=O)Nc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylbenzenesulfonamide?
The InChIKey is BZPWSRASLBTRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF3N2O2S/c1-8-4-2-3-5-11(8)22(20,21)19-12-10(14)6-9(7-18-12)13(15,16)17/h2-7H,1H3,(H,18,19).
What are the key properties of N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylbenzenesulfonamide?
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylbenzenesulfonamide has a molecular weight of 350.75 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 2123604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).